[(1S,3S)-3-methyl-3-propan-2-yl-cyclohexyl] (E)-3-[(2S)-4-oxidanylideneazetidin-2-yl]sulfanylprop-2-enoate

Systemtic Name: [(1S,3S)-3-methyl-3-propan-2-yl-cyclohexyl] (E)-3-[(2S)-4-oxidanylideneazetidin-2-yl]sulfanylprop-2-enoate Openeye Name: [(1S,3S)-3-isopropyl-3-methyl-cyclohexyl] (E)-3-[(2S)-4-oxoazetidin-2-yl]sulfanylprop-2-enoate CAS Name: (E)-3-[[(2S)-4-oxo-2-azetidinyl]thio]-2-propenoic acid [(1S,3S)-3-methyl-3-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,3S)-3-methyl-3-propan-2-ylcyclohexyl] (E)-3-[(2S)-4-oxoazetidin-2-yl]sulfanylprop-2-enoate Traditional Name: (E)-3-[[(2S)-4-ketoazetidin-2-yl]thio]acrylic acid [(1S,3S)-3-isopropyl-3-methyl-cyclohexyl] ester Formula: C16H25NO3S MolecularWeight: 311.4396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCCC(C1)OC(=O)C=CSC2CC(=O)N2)C

Isomeric SMILES

CC(C)[C@]1(CCC[C@@H](C1)OC(=O)/C=C/S[C@H]2CC(=O)N2)C

InChI

InChI=1S/C16H25NO3S/c1-11(2)16(3)7-4-5-12(10-16)20-15(19)6-8-21-14-9-13(18)17-14/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,17,18)/b8-6+/t12-,14-,16-/m0/s1